Benzene, (methyl-14C-sulfonyl)-

Base Information

• Chemical Name: Benzene, (methyl-14C-sulfonyl)-
• CAS No.: 121706-22-7
• Molecular Formula: C₇H₈O₂S
• Molecular Weight: 158.194
• DSSTox Substance ID: DTXSID201303930
• Mol file: 121706-22-7.mol

Synonyms:Benzene, (methyl-14C-sulfonyl)-;DTXSID201303930;121706-22-7

Chemical Property of Benzene, (methyl-14C-sulfonyl)-

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 158.02774266
• Heavy Atom Count: 10
• Complexity: 182

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC=CC=C1
• Isomeric SMILES: [14CH3]S(=O)(=O)C1=CC=CC=C1

Technology Process of Benzene, (methyl-14C-sulfonyl)-

There total 1 articles about Benzene, (methyl-14C-sulfonyl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

[14C]methyl iodide (16170-82-4) + sodium benzenesulfonate (873-55-2) → <14C>methyl phenyl sulfone (121706-22-7)

Guidance literature:

In N,N-dimethyl-formamide; for 96h;

DOI:10.1021/jo00276a051

Reference yield: 61.0%

<14C>methyl phenyl sulfone (121706-22-7) + 3-(7-bromoheptyl)pyridine (433978-10-0) + 4-(2,2-diphenyl-vinyl)-piperidine-1-carboxylic acid ethyl ester → C38(14)CH44N2O3S

Guidance literature:

<14C>methyl phenyl sulfone; With n-butyllithium; In tetrahydrofuran;

4-(2,2-diphenyl-vinyl)-piperidine-1-carboxylic acid ethyl ester; In tetrahydrofuran; at 0 ℃;

3-(7-bromoheptyl)pyridine; With tetra-(n-butyl)ammonium iodide; In tetrahydrofuran; at 65 - 85 ℃; Further stages.;

DOI:10.1021/ol020062p

Reference yield:

methyl hexanoate (106-70-7) + <14C>methyl phenyl sulfone (121706-22-7) → C12(14)CH18O3S (121706-28-3)

Guidance literature:

With n-butyllithium; Multistep reaction; 1.) THF, 0 deg C, 15 min, 2.) a) 0 deg C, 0. 5 h, b) RT, 0.5 h;

DOI:10.1021/jo00276a051

upstream raw materials:

[14C]methyl iodide

sodium benzenesulfonate

Downstream raw materials:

C₁₂⁽¹⁴⁾CH₁₈O₃S

C₁₁⁽¹⁴⁾CH₁₆O₄S

C₁₃⁽¹⁴⁾CH₁₆O₃S

C₁₇⁽¹⁴⁾CH₂₂O₃S